2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide | CAS No. 7776-28-5

2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide

Basic Information

CAS Number

7776-28-5

Molecular Formula

C6H6Ca6O24P6

Molecular Weight

888.4 g/mol

AD

Basic Physical Properties

Melting Point

360°C (dec.)

Boiling Point

1190.7°C at 760 mmHg

C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C6H18O24P6.6Ca/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;/q;6*+2/p-12

InChIKey

WPEXVRDUEAJUGY-UHFFFAOYSA-B

LogP

0.4457999999999991

Topological Polar Surface Area

268.55999999999995 Ų

Hydrogen Bond Donor/Acceptor

0 / 24

Complexity

749

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Calcium(1R,2r,3S,4R,5s,6S)-cyclohexane-1,2,3,4,5,6-hexaylhexakis(phosphate)
  • Phytin
  • DTXSID40998952
  • L1WK0T5S7Z
  • Inositol, hexakis(dihydrogen phosphate), calcium salt (1:6), myo-
  • W-104299
  • EINECS 231-897-9
  • W-106639
  • Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)
  • Hexacalcium phytate
  • Calcium fytate
  • CALCIUM PHYTATE [HSDB]
  • PHYTIC ACID CALCIUM
  • Inositol, hexakis(dihydrogen phosphate) calcium salt(1:6), myo-
  • 3615-82-5
  • Calcium rel-(1R,2r,3S,4R,5s,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)
  • FERRONIF
  • FS-10467
  • hexacalcium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
  • Q27282591
  • AKOS015901408
  • 23183-60-0
  • 7776-28-5
  • CALCIUM PHYTATE
  • UNII-L1WK0T5S7Z
  • Phytic acid calcium salt
  • Myo-inositol, hexakis(dihydrogen phosphate), calcium salt (1:6)
  • HSDB 962
  • MYO-INOSITOL, 1,2,3,4,5,6-HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM SALT (1:6)
  • myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), calcium salt (1:6)
  • Phytine

MDL Number

MFCD00082315

FAQ

What regulatory guidelines apply to 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS: 7776-28-5)?

The chemical 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS 7776-28-5) is subject to regulatory guidelines including GHS (Global Harmonized System of Classification and Labelling of Chemicals) for classification and labelling, REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for registration and safety data sheets, and FDA/EPA (Food and Drug Administration/EPA) for environmental and health safety. Additional local regulations and guidelines may also apply depending on the country of use.

Are there alternatives to 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS: 7776-28-5) in synthesis?

For the synthesis of 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS 7776-28-5), alternative reagents and methods can include similar cyclic phosphonium compounds or other organophosphorus compounds. However, the choice of alternative reagents should be guided by the specific properties and requirements of the synthesis, as well as safety and environmental considerations.

What is the market or research trend for 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS: 7776-28-5)?

The market and research trends for 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS 7776-28-5) are currently focused on its potential applications in advanced materials, pharmaceuticals, and catalysts. Research is also exploring its use in novel synthesis strategies and its environmental impact. Market trends indicate growing interest in sustainable and high-performance materials, which may drive further development and adoption of this compound.

How should waste containing 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS: 7776-28-5) be handled?

Waste containing 2-[2,3,4,5,6-pentakis[(2-oxo-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobut-2-yl)oxy]cyclohexoxy]-1,3-dioxa-2$l^{5}-phospha-4$l^{2}-calcacyclobutane 2-oxide (CAS 7776-28-5) should be managed according to local and international environmental regulations. Proper waste collection, storage, and disposal methods should be employed, such as incineration or professional waste disposal services. Environmental protection precautions must be taken, and the waste should be handled by trained personnel using appropriate personal protective equipment (PPE) to minimize environmental impact and ensure safety.

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